3-acetamido-2-chloro-N-(1-propyl-2,3-dihydrotetrazol-5-yl)-4-(trifluoromethoxy)benzamide

C14H16ClF3N6O3 — CID 168840965

IUPAC3-acetamido-2-chloro-N-(1-propyl-2,3-dihydrotetrazol-5-yl)-4-(trifluoromethoxy)benzamide
SMILESCCCN1NNN=C1NC(=O)c1ccc(OC(F)(F)F)c(NC(C)=O)c1Cl
InChIInChI=1S/C14H16ClF3N6O3/c1-3-6-24-13(21-22-23-24)20-12(26)8-4-5-9(27-14(16,17)18)11(10(8)15)19-7(2)25/h4-5,22-23H,3,6H2,1-2H3,(H,19,25)(H,20,21,26)
InChIKeySWMQODVZUUEJRM-UHFFFAOYSA-N
MW408.77 g/mol
LogP1.93
Rot. Bonds5

About 3-acetamido-2-chloro-N-(1-propyl-2,3-dihydrotetrazol-5-yl)-4-(trifluoromethoxy)benzamide

3-acetamido-2-chloro-N-(1-propyl-2,3-dihydrotetrazol-5-yl)-4-(trifluoromethoxy)benzamide (PubChem CID 168840965) has the molecular formula C14H16ClF3N6O3 and a molecular weight of 408.77 g/mol. Its IUPAC name is 3-acetamido-2-chloro-N-(1-propyl-2,3-dihydrotetrazol-5-yl)-4-(trifluoromethoxy)benzamide.

Molecular Properties

Compound Name3-acetamido-2-chloro-N-(1-propyl-2,3-dihydrotetrazol-5-yl)-4-(trifluoromethoxy)benzamide
PubChem CID168840965
Molecular FormulaC14H16ClF3N6O3
Molecular Weight408.77 g/mol
Exact Mass408.09
IUPAC Name3-acetamido-2-chloro-N-(1-propyl-2,3-dihydrotetrazol-5-yl)-4-(trifluoromethoxy)benzamide
SMILESCCCN1NNN=C1NC(=O)c1ccc(OC(F)(F)F)c(NC(C)=O)c1Cl
InChIInChI=1S/C14H16ClF3N6O3/c1-3-6-24-13(21-22-23-24)20-12(26)8-4-5-9(27-14(16,17)18)11(10(8)15)19-7(2)25/h4-5,22-23H,3,6H2,1-2H3,(H,19,25)(H,20,21,26)
InChIKeySWMQODVZUUEJRM-UHFFFAOYSA-N
XLogP1.93
TPSA107.09 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.77
LogP ≤ 51.93
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 3-acetamido-2-chloro-N-(1-propyl-2,3-dihydrotetrazol-5-yl)-4-(trifluoromethoxy)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-N-(1-ethyl-2,3-dihydrotetrazol-5-yl)-3-(2-methoxypropanoylamino)-4-(trifluoromethoxy)benzamide
CID 168840878
2-chloro-N-(1-ethyl-2,3-dihydrotetrazol-5-yl)-3-[2-(methoxymethyl)butanoylamino]-4-(trifluoromethoxy)benzamide
CID 168841097
2-chloro-3-[(2-ethoxyacetyl)amino]-N-(1-methyl-2,3-dihydrotetrazol-5-yl)-4-(trifluoromethoxy)benzamide
CID 168840996
2-chloro-3-(2,2-difluoropropanoylamino)-N-(1-methyl-2,3-dihydrotetrazol-5-yl)-4-(trifluoromethoxy)benzamide
CID 168840922
2-chloro-N-(1-ethyl-2,3-dihydrotetrazol-5-yl)-3-[(4-fluorophenyl)sulfonylamino]-4-(trifluoromethoxy)benzamide
CID 170938722
N-[2-chloro-3-[(1-methyl-2,3-dihydrotetrazol-5-yl)carbamoyl]-6-(trifluoromethoxy)phenyl]-2-methylpyrazole-3-carboxamide
CID 168840851
2-chloro-3-(2-ethylbutanoylamino)-N-(1-methyltetrazol-5-yl)-4-(trifluoromethoxy)benzamide
CID 168841030
2-chloro-3-(methylamino)-N-(1-methyltetrazol-5-yl)-4-(trifluoromethoxy)benzamide
CID 168840928
2-chloro-N-(1-ethyltetrazol-5-yl)-3-(2-methylpropanoylamino)-4-(trifluoromethoxy)benzamide
CID 168841014
N-[3-bromo-2-chloro-6-(trifluoromethoxy)phenyl]acetamide
CID 166071388
N-[2-chloro-3-[(1-methyltetrazol-5-yl)carbamoyl]-6-(trifluoromethoxy)phenyl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide
CID 168841016
2-chloro-4-(difluoromethoxy)-N-(1-ethyl-2,3-dihydrotetrazol-5-yl)-3-propylsulfonylbenzamide
CID 166505022

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-2-chloro-N-(1-propyl-2,3-dihydrotetrazol-5-yl)-4-(trifluoromethoxy)benzamide?
The IUPAC name of 3-acetamido-2-chloro-N-(1-propyl-2,3-dihydrotetrazol-5-yl)-4-(trifluoromethoxy)benzamide (CID 168840965) is 3-acetamido-2-chloro-N-(1-propyl-2,3-dihydrotetrazol-5-yl)-4-(trifluoromethoxy)benzamide.
What is the SMILES notation for 3-acetamido-2-chloro-N-(1-propyl-2,3-dihydrotetrazol-5-yl)-4-(trifluoromethoxy)benzamide?
The canonical SMILES for 3-acetamido-2-chloro-N-(1-propyl-2,3-dihydrotetrazol-5-yl)-4-(trifluoromethoxy)benzamide is CCCN1NNN=C1NC(=O)c1ccc(OC(F)(F)F)c(NC(C)=O)c1Cl.
What is the InChIKey of 3-acetamido-2-chloro-N-(1-propyl-2,3-dihydrotetrazol-5-yl)-4-(trifluoromethoxy)benzamide?
The InChIKey is SWMQODVZUUEJRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClF3N6O3/c1-3-6-24-13(21-22-23-24)20-12(26)8-4-5-9(27-14(16,17)18)11(10(8)15)19-7(2)25/h4-5,22-23H,3,6H2,1-2H3,(H,19,25)(H,20,21,26).
What are the key properties of 3-acetamido-2-chloro-N-(1-propyl-2,3-dihydrotetrazol-5-yl)-4-(trifluoromethoxy)benzamide?
3-acetamido-2-chloro-N-(1-propyl-2,3-dihydrotetrazol-5-yl)-4-(trifluoromethoxy)benzamide has a molecular weight of 408.77 g/mol, XLogP of 1.93, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-2-chloro-N-(1-propyl-2,3-dihydrotetrazol-5-yl)-4-(trifluoromethoxy)benzamide is sourced from PubChem (CID 168840965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).